NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6771 8.0033 118.8631 56.0812 40.3412 176.6313 2 K 3.5742 7.6668 121.3201 59.0512 32.0986 177.0615 3 Q 3.8956 8.7519 120.5151 59.4383 29.3523 177.0227 4 C 4.0351 8.2623 117.0584 63.9233 28.1776 175.9373 5 H 4.2404 8.5787 117.2173 58.4362 28.0434 177.7157 6 K 3.9120 7.9575 121.3369 59.5344 32.0399 178.5141 7 K 4.2775 7.5443 115.1161 56.4270 32.0840 177.4203 8 G 3.8842 8.3761 105.0830 45.3782 0.0000 174.0519 9 G 4.6630 8.4479 109.8276 43.0603 0.0000 173.8143 10 H 3.7646 8.3874 126.5346 56.9606 30.1916 174.6060 11 C 3.8731 8.2557 116.4142 60.3259 26.4255 172.3343 12 F 5.4790 8.8718 122.4012 54.8016 43.0048 172.8634 13 P 3.5241 0.0000 0.0000 61.7124 32.1340 177.0549 14 K 3.7054 8.3919 121.7248 59.9962 31.6833 178.7127 15 E 3.9298 7.8842 115.9074 59.1502 29.2424 178.8051 16 K 4.1197 7.7338 119.2043 57.1717 32.8950 176.1328 17 I 2.9564 7.3821 116.5288 61.9306 34.5167 172.5095 18 C 4.2864 8.2177 121.8198 58.7498 28.7444 173.4044 19 L 4.8119 8.0098 125.4910 52.0310 45.0613 174.0024 20 P 4.4870 0.0000 0.0000 61.7850 32.1890 175.6045 21 P 4.4281 0.0000 0.0000 63.1668 33.4510 174.3761 22 S 4.5393 9.0147 115.0759 59.6003 61.6739 172.7783 23 S 4.3883 7.8893 114.6283 60.7506 62.9390 174.9641 24 D 4.5213 7.9507 118.0945 53.5640 41.1540 180.4504 25 F 3.3913 7.5858 108.7767 57.2677 40.7710 177.9130 26 G 4.4338 7.0882 122.2738 44.6224 0.0000 171.7355 27 K 4.8707 8.0787 119.4148 55.2138 35.2269 173.6273 28 M 4.5534 8.1968 120.6725 56.0050 34.7148 177.0109 29 D 4.5498 7.6046 115.3801 55.3591 42.7329 175.3499 30 C 4.5714 8.0862 115.8931 57.9994 29.3730 173.1525 31 R 3.9269 8.4874 118.6619 56.7829 29.8774 176.6403 32 W 4.8710 8.6603 131.2431 58.5482 29.2831 174.6136 33 R 4.9631 8.6013 133.8043 56.8229 27.6309 174.5433 34 W 4.5099 7.8250 118.2962 56.3694 30.5378 174.8450 35 K 4.9949 9.2283 119.5047 56.1278 36.2103 174.6587 36 C 5.0521 8.1849 115.2793 58.6728 32.8833 173.2130 37 C 5.4113 8.4470 121.0186 55.7674 35.3101 172.9093 38 K 4.2775 9.0202 122.3855 56.9715 32.1771 176.4334 39 K 4.2459 8.8915 126.0578 55.5765 31.1028 174.9369 40 G 4.9578 7.8632 123.5326 46.8530 0.0000 168.7945 41 S 4.5897 7.9084 118.5111 58.7058 68.7707 174.7826 42 G 3.6897 7.6992 113.2517 46.0021 0.0000 172.8047 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 Y 8.00 4.68 0.00 3.04 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 7.67 3.57 0.00 1.69 1.81 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.32 7.81 3 Q 8.75 3.90 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 4 C 8.26 4.04 0.00 3.35 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.58 4.24 0.00 3.42 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.96 3.91 0.00 1.84 1.82 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 7 K 7.54 4.28 0.00 1.42 1.56 0.00 1.63 0.00 0.00 0.79 0.00 0.00 2.45 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.31 7.81 8 G 8.38 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.45 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.39 3.76 0.00 2.94 2.52 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.26 3.87 0.00 2.99 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.87 5.48 0.00 3.07 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 3.52 0.00 1.47 0.49 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 14 K 8.39 3.71 0.00 1.78 1.68 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.50 7.81 15 E 7.88 3.93 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 16 K 7.73 4.12 0.00 1.76 1.88 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.44 1.50 7.81 17 I 7.38 2.96 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.35 0.86 0.00 0.00 18 C 8.22 4.29 0.00 3.22 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.01 4.81 0.00 1.47 1.44 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.49 0.00 2.21 2.03 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 21 P 0.00 4.43 0.00 2.21 2.14 0.00 3.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 22 S 9.01 4.54 0.00 4.11 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.89 4.39 0.00 3.94 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.95 4.52 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.59 3.39 0.00 3.34 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.09 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.08 4.87 0.00 1.83 1.77 0.00 2.10 0.00 0.00 2.03 0.00 0.00 3.13 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.44 1.57 7.81 28 M 8.20 4.55 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.19 0.00 29 D 7.60 4.55 0.00 2.57 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.09 4.57 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.49 3.93 0.00 1.95 1.87 0.00 2.21 0.00 0.00 2.78 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 32 W 8.66 4.87 0.00 3.14 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.60 4.96 0.00 1.93 2.33 0.00 3.25 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.36 0.00 34 W 7.83 4.51 0.00 3.22 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 9.23 4.99 0.00 1.87 1.93 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.48 7.81 36 C 8.18 5.05 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.45 5.41 0.00 3.19 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 9.02 4.28 0.00 1.78 1.88 0.00 1.95 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.75 1.73 7.81 39 K 8.89 4.25 0.00 1.82 2.01 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.49 7.81 40 G 7.86 4.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.91 4.59 0.00 3.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.70 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00